Information card for entry 1518857

Structure parameters

• Formula: C48 H92 O12 P2 Ru2
• Calculated formula: C48 H92 O12 P2 Ru2
• SMILES: [Ru]1234([Ru]([P](C5CCCCC5)(C5CCCCC5)C5CCCCC5)([O]2C)([O]=C(O3)C)(OC(=[O]1)C)(OC(=O)C)[O]4C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)OC(=O)C.OC.OC
• Title of publication: Compromising the metal-metal bond in diruthenium(II,III) tetraacetate: Reaction of [Ru2(mu-O2CMe)4(MeOH)2]+ with phosphines to form 'Ru(mu-O2CMe)2(mu-OMe)2Ru' cores
• Authors of publication: Elizabeth G. Corkum; Ruiyao Wang; Manuel A.S. Aquino
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 202 - 209
• a: 9.5805 ± 0.0005 Å
• b: 11.8587 ± 0.0006 Å
• c: 13.124 ± 0.0006 Å
• α: 76.919 ± 0.001°
• β: 79.294 ± 0.001°
• γ: 68.919 ± 0.001°
• Cell volume: 1346.19 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No